SCHEMBL533529

SCHEMBL533529

CCCOc1nc(-c2cc[c]cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.41
ATP4A P20648 16/20 0.39
ATP4B P51164 16/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL534215 0.88 ALOX5 (0.39) MAPTRAB9AMEN1KMT2AATP4A
SCHEMBL533701 0.79 MAPT (0.45) MAPTRAB9AMEN1KMT2AATP4A
SCHEMBL533598 0.75 RAB9A (0.35) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL532989 0.75 RAB9A (0.35) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL533154 0.73 LOXL2 (0.49) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL534343 0.73 RAB9A (0.46) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL533358 0.72 LOXL2 (0.44) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL533347 0.72 ALDH1A1 (0.34) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL533569 0.72 ALDH1A1 (0.34) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL533127 0.72 ALOX5 (0.39) MAPTRAB9AMEN1KMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
CN-102448940-B For the medical composition of glaucomatous treatment or prevention UBE INDUSTRIES, LTD. (JP) 2015-10-21 CN disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
CN-102448940-A Pharmaceutical composition for treating or preventing glaucoma UBE INDUSTRIES 2012-05-09 CN disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 MAPT 4180/4885RAB9A 2549/4885MEN1 4120/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 MAPT 4449/4885RAB9A 2112/4885MEN1 4385/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 MAPT 3554/4885RAB9A 1700/4885MEN1 1413/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.